3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol

C11H20N2O — CID 66397330

IUPAC3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCCCn1ccc(CNCCCO)c1
InChIInChI=1S/C11H20N2O/c1-2-6-13-7-4-11(10-13)9-12-5-3-8-14/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3
InChIKeyNICGYUMMPHVKCL-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.37
Rot. Bonds7

About 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol

3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol (PubChem CID 66397330) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol
PubChem CID66397330
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCCCn1ccc(CNCCCO)c1
InChIInChI=1S/C11H20N2O/c1-2-6-13-7-4-11(10-13)9-12-5-3-8-14/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3
InChIKeyNICGYUMMPHVKCL-UHFFFAOYSA-N
XLogP1.37
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol (CID 66397330) is 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol is CCCn1ccc(CNCCCO)c1.
What is the InChIKey of 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol?
The InChIKey is NICGYUMMPHVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-6-13-7-4-11(10-13)9-12-5-3-8-14/h4,7,10,12,14H,2-3,5-6,8-9H2,1H3.
What are the key properties of 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol?
3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 66397330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).